Efficient calculation of configurational entropy from molecular simulations by combining the mutual-information expansion and nearest-neighbor methods

von Hnizdo, Vladimir
Veröffentlicht in: Journal of computational chemistry (2008)

Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules

von Hnizdo, Vladimir
Veröffentlicht in: Journal of computational chemistry (2007)

Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations

von Darian, Eva
Veröffentlicht in: Journal of computational chemistry (2005)

Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations

von Hnizdo, Vladimir
Veröffentlicht in: Journal of computational chemistry (2003)